2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol

C16H35NO2 — CID 54545518

IUPAC2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
SMILESCCCCCN(CCCCC)CC(CC)(CO)CO
InChIInChI=1S/C16H35NO2/c1-4-7-9-11-17(12-10-8-5-2)13-16(6-3,14-18)15-19/h18-19H,4-15H2,1-3H3
InChIKeyZGGWQQRKUBNCAR-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.05
Rot. Bonds13

About 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol

2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol (PubChem CID 54545518) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
PubChem CID54545518
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
SMILESCCCCCN(CCCCC)CC(CC)(CO)CO
InChIInChI=1S/C16H35NO2/c1-4-7-9-11-17(12-10-8-5-2)13-16(6-3,14-18)15-19/h18-19H,4-15H2,1-3H3
InChIKeyZGGWQQRKUBNCAR-UHFFFAOYSA-N
XLogP3.05
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-[(dibutylamino)methyl]-2-methylbutan-1-ol
CID 62270910
N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol
CID 59966457
N',N',2,2-tetrakis-decylpropane-1,3-diamine
CID 151621553
[hexyl(hydroxymethyl)amino]methanol
CID 18004283
[dodecyl(hydroxymethyl)amino]methanol
CID 19019052
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[(dimethylamino)methyl]-2-ethylhexan-1-ol
CID 18990769
2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
CID 64998595
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732

Frequently Asked Questions

What is the IUPAC name of 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol (CID 54545518) is 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol is CCCCCN(CCCCC)CC(CC)(CO)CO.
What is the InChIKey of 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol?
The InChIKey is ZGGWQQRKUBNCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-4-7-9-11-17(12-10-8-5-2)13-16(6-3,14-18)15-19/h18-19H,4-15H2,1-3H3.
What are the key properties of 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol?
2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol has a molecular weight of 273.46 g/mol, XLogP of 3.05, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 54545518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).